Molecule ID: mol29529
SMILES: Nc1nc2nc(O)[nH]c2c(=O)[nH]1
InChI: InChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.10 | AttenGpKa training set | 2 » 1 |
| 8.55 | AttenGpKa training set | 0 » -1 |